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3-Acetyl-2,5-di(p-methylphenyl)-1-N-tosyl-2,5-dihydro-1H-pyrrole
SpectraBase Compound ID ArQX7Erjs1j
InChI InChI=1S/C27H27NO3S/c1-18-5-11-22(12-6-18)26-17-25(21(4)29)27(23-13-7-19(2)8-14-23)28(26)32(30,31)24-15-9-20(3)10-16-24/h5-17,26-27H,1-4H3
InChIKey VZLWIBXBWUFSPL-UHFFFAOYSA-N
Mol Weight 445.58 g/mol
Molecular Formula C27H27NO3S
Exact Mass 445.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1o22dUQLCK
Name 3-Acetyl-2,5-di(p-methylphenyl)-1-N-tosyl-2,5-dihydro-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO3S
InChI InChI=1S/C27H27NO3S/c1-18-5-11-22(12-6-18)26-17-25(21(4)29)27(23-13-7-19(2)8-14-23)28(26)32(30,31)24-15-9-20(3)10-16-24/h5-17,26-27H,1-4H3
InChIKey VZLWIBXBWUFSPL-UHFFFAOYSA-N
Molecular Weight 445.577 g/mol
SMILES c1(S(N2C(C(C(=O)C)=CC2c2ccc(cc2)C)c2ccc(cc2)C)(=O)=O)ccc(cc1)C
SPLASH splash10-006x-0090000000-ca61966871d857189e63
Source of Spectrum K1-2002-700-2
Synonyms 1-[Toluenesulfonyl]-2,5-bis(p-tolyl)-3-acetyl-2,5-dihydropyrrole 1-{2,5-bis(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-2,5-dihydro-1H-pyrrol-3-yl}ethanone 3-Acetyl-2,5-di(p-methylphenyl)-1-N-tosyl-1H-pyrrole
Wiley ID 1522144